Sr3Pa2NbN6
Alexandria ALEXAlex-ID: agm004650945 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Sr2NbN3 Sr(PaN2)2 Sr2PaN3 Nb2N
2022-06-28 08:02:39.136778
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004650945).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm004650945
data_agm004650945
_cell_length_a 6.06188
_cell_length_b 6.06188
_cell_length_c 6.27463
_cell_angle_alpha 99.24170
_cell_angle_beta 99.24170
_cell_angle_gamma 119.94753
_cell_volume 189.21584
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sr1 Sr 0.16115 0.83885 0.50000 1.00000
Sr2 Sr 0.83885 0.16115 0.50000 1.00000
Sr3 Sr 0.50000 0.50000 0.50000 1.00000
Pa1 Pa 0.33301 0.66699 0.00000 1.00000
Pa2 Pa 0.66699 0.33301 0.00000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
N1 N 0.93551 0.60849 0.80510 1.00000
N2 N 0.73647 0.73647 0.19581 1.00000
N3 N 0.06449 0.39151 0.19490 1.00000
N4 N 0.60849 0.93551 0.80510 1.00000
N5 N 0.26353 0.26353 0.80419 1.00000
N6 N 0.39151 0.06449 0.19490 1.00000
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